8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-1-(2-chlorophenyl)-3-phenyl-4-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-1-(2-chlorophenyl)-3-phenyl-4-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-1-(2-chlorophenyl)-3-phenyl-4-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | V004-0686 |
| Compound Name: | 8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-1-(2-chlorophenyl)-3-phenyl-4-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 606.17 |
| Molecular Formula: | C30 H28 Cl N5 O3 S2 |
| Smiles: | CC(N1CCN(CC1)C(CN1C(CSC(c2c(c3ccccc3)nn(c3ccccc3[Cl])c12)c1cccs1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1297 |
| logD: | 4.1297 |
| logSw: | -4.2955 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.33 |
| InChI Key: | QFDYVSWWWFHNKU-LJAQVGFWSA-N |